2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

C21H26N2 — CID 18811353

IUPAC2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(Cn2c(C(C)(C)C)nc3ccccc32)c(C)c1
InChIInChI=1S/C21H26N2/c1-14-11-15(2)17(16(3)12-14)13-23-19-10-8-7-9-18(19)22-20(23)21(4,5)6/h7-12H,13H2,1-6H3
InChIKeyBWFNMIXYSBMMDT-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.31
Rot. Bonds2

About 2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole

2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (PubChem CID 18811353) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
PubChem CID18811353
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
SMILESCc1cc(C)c(Cn2c(C(C)(C)C)nc3ccccc32)c(C)c1
InChIInChI=1S/C21H26N2/c1-14-11-15(2)17(16(3)12-14)13-23-19-10-8-7-9-18(19)22-20(23)21(4,5)6/h7-12H,13H2,1-6H3
InChIKeyBWFNMIXYSBMMDT-UHFFFAOYSA-N
XLogP5.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methanol
CID 2959653
2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 17001144
2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18811357
2-(5-methylfuran-2-yl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 20930570
1-[(3-bromophenyl)methyl]-2-tert-butylbenzimidazole
CID 17000378
2-tert-butyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 17000411
2-(naphthalen-2-yloxymethyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 4631817
2-tert-butyl-1-pentylbenzimidazole
CID 17000368
2-[(4-chlorophenoxy)methyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 16997069
2-methylsulfanyl-1-[[2,4,6-trimethyl-3-[(2-methylsulfanylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 102098034
4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine
CID 82144558
2-[1-(3-methylphenoxy)propyl]-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 18877927

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The IUPAC name of 2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole (CID 18811353) is 2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The canonical SMILES for 2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole is Cc1cc(C)c(Cn2c(C(C)(C)C)nc3ccccc32)c(C)c1.
What is the InChIKey of 2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
The InChIKey is BWFNMIXYSBMMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-14-11-15(2)17(16(3)12-14)13-23-19-10-8-7-9-18(19)22-20(23)21(4,5)6/h7-12H,13H2,1-6H3.
What are the key properties of 2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole?
2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole has a molecular weight of 306.45 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole is sourced from PubChem (CID 18811353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).